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≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-Bromo-3-methyl-2-butene is a vinylic bromide compound. Palladium/di-1-adamantyl-n-butylphosphine-catalyzed reductive carbonylation of 2-bromo-3-methyl-2-butene has been reported. Cross-coupling reaction of 2-bromo-3-methyl-2-butene with potassium 6-(benzoyloxy)hexyltrifluoroborate and 3-(benzoyloxy)propyltrifluoroborate has been investigated.2-Bromo-3-methyl-2-butene may be used in the preparation of:2,3,4,5-tetramethyl-2,4-hexadiene2-iodo-3-methyl-2-butenediastereomers of 2-amino-3-hydroxy-4,5-dimethylhexanoic acidlithium reagent, 2-lithio-3-methylbut-2-eneD-allo-(2R,3R,4R)-2-amino-3-hydroxy-4,5-dimethylhexanoic acid-containing peptide, pipecolidepsin A.
| Canonical Smiles | CC(=C(C)Br)C |
|---|---|
| IUPAC Name | 2-bromo-3-methylbut-2-ene |
| InChIKey | DBELOSOZLGEZBM-UHFFFAOYSA-N |
| INCHI | 1S/C5H9Br/c1-4(2)5(3)6/h1-3H3 |
| Isomeric SMILES | CC(=C(C)Br)C |
| WGK Germany | 3 |
| Molecular Weight | 149.03 |
| Reaxy-Rn | 1697755 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697755&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Vinyl halides |
| Subclass | Vinyl bromides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinyl bromides |
| Alternative Parents | Bromoalkenes Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Bromoalkene - Haloalkene - Vinyl bromide - Hydrocarbon derivative - Organobromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinyl bromides. These are vinyl halides in which a bromine atom is bonded to an sp2-hybridised carbon atom. |
| External Descriptors | Not available |
| Flash Point(°F) | 77 °F |
|---|---|
| Flash Point(°C) | 25 °C |
| Molecular Weight | 149.030 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 147.989 Da |
| Monoisotopic Mass | 147.989 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 68.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |